(3S,8aS)-3-[[2-(2-Methylbut-3-En-2-Yl)-1H-Indol-3-Yl]Methyl]-2,3,6,7,8,8a-Hexahydropyrrolo[2,1-f]Pyrazine-1,4-Dione
[CAS# 34610-68-9]

Identification

• Name: (3S,8aS)-3-[[2-(2-Methylbut-3-En-2-Yl)-1H-Indol-3-Yl]Methyl]-2,3,6,7,8,8a-Hexahydropyrrolo[2,1-f]Pyrazine-1,4-Dione
• Synonyms: (3S,8As)-3-[[2-(1,1-Dimethylprop-2-Enyl)-1H-Indol-3-Yl]Methyl]-2,3,6,7,8,8A-Hexahydropyrrolo[2,1-F]Pyrazine-1,4-Dione; (3S,8As)-3-[[2-(1,1-Dimethylprop-2-Enyl)-1H-Indol-3-Yl]Methyl]-2,3,6,7,8,8A-Hexahydropyrrolo[2,1-F]Pyrazine-1,4-Quinone
• Molecular Formula: C₂₁H₂₅N₃O₂
• Molecular Weight: 351.45
• CAS Registry Number: 34610-68-9
• SMILES: [C@@H]2(C(N1CCC[C@H]1C(N2)=O)=O)CC3=C([NH]C4=CC=CC=C34)C(C=C)(C)C
• InChI: 1S/C21H25N3O2/c1-4-21(2,3)18-14(13-8-5-6-9-15(13)22-18)12-16-20(26)24-11-7-10-17(24)19(25)23-16/h4-6,8-9,16-17,22H,1,7,10-12H2,2-3H3,(H,23,25)/t16-,17-/m0/s1
• InChIKey: KUGNSEAHJVSMAJ-IRXDYDNUSA-N

Properties

• Density: 1.243g/cm³ (Cal.)
• Boiling point: 619.93°C at 760 mmHg (Cal.)
• Flash point: 328.722°C (Cal.)